methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate

C18H20N2O5S2 — CID 1131506

IUPACmethyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C18H20N2O5S2/c1-11-14(18(23)24-2)16(19-13(21)10-12-4-3-9-26-12)27-15(11)17(22)20-5-7-25-8-6-20/h3-4,9H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyDQASHNYMFADBAU-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.56
Rot. Bonds5

About methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate

methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 1131506) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID1131506
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Namemethyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C18H20N2O5S2/c1-11-14(18(23)24-2)16(19-13(21)10-12-4-3-9-26-12)27-15(11)17(22)20-5-7-25-8-6-20/h3-4,9H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyDQASHNYMFADBAU-UHFFFAOYSA-N
XLogP2.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1130857
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 17062593
methyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1130849
methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 2231943
methyl 4-methyl-2-(propanoylamino)-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
CID 17063743
methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 3141698
N-[2-(morpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 2988771
methyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 17061139
methyl 2-[(2-thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 645969
ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1004833
methyl 5-(dimethylcarbamoyl)-4-methyl-2-(morpholine-4-carbothioylamino)thiophene-3-carboxylate
CID 19653726
methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 41340119

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate (CID 1131506) is methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)N2CCOCC2)c1C.
What is the InChIKey of methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is DQASHNYMFADBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c1-11-14(18(23)24-2)16(19-13(21)10-12-4-3-9-26-12)27-15(11)17(22)20-5-7-25-8-6-20/h3-4,9H,5-8,10H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1131506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).